Improved hybrid Allen-Cahn phase-field-based lattice Boltzmann method for incompressible two-phase flows.

In this work we develop an improved phase-field based lattice Boltzmann (LB) method where a hybrid Allen-Cahn equation (ACE) with a flexible weight instead of a global weight is used to suppress the numerical dispersion and eliminate the coarsening phenomenon. Then two LB models are adopted to solve the hybrid ACE and the Navier-Stokes equations, respectively. Through the Chapman-Enskog analysis, the present LB model can correctly recover the hybrid ACE, and the macroscopic order parameter used to label different phases can be calculated explicitly.

[Back-forward bending CT in simulated surgical position to evaluate the remaining real angle and flexibility of thoracolumbar kyphosis secondary to old osteoporotic vertebral compression fracture].

Objective: To introduce a scout view scanning technique of back-forward bending CT (BFB-CT) in simulated surgical position for evaluating the remaining real angle and flexibility of thoracolumbar kyphosis secondary to old osteoporotic vertebral compression fracture.

Methods: A total of 28 patients with thoracolumbar kyphosis secondary to old osteoporotic vertebral compression fracture who met the selection criteria between June 2018 and December 2021 were included in the study. There were 6 males and 22 females with an average age of 69.

Lewis Acid-Catalyzed Annulations of Geminally Disubstituted Cyclopropanes with Aldehydes or 1,3,5-Triazinanes.

Under the catalysis of simple Lewis acid catalysts, 2-(1-aroylcyclopropyl)malonates demonstrated unique reactivities in annulation reactions with aryl/alkyl aldehydes, paraformaldehyde, and 1,3,5-triazinanes. Three types of structurally diverse cyclic products that are otherwise not easy to obtain were generated in moderate to good yields and excellent diastereoselectivities. Possible reaction pathways leading to these products were proposed on the basis of the results of control experiments.

Ubiquitous occurrence and functional dominance of comammox Nitrospira in full-scale wastewater treatment plants.

The recent discovery of complete ammonia oxidation (comammox) bacteria has fundamentally upended the traditional two-step nitrification conception, but their functional importance in wastewater treatment plants (WWTPs) is still poorly understood. This study investigated distributions of comammox Nitrospira, ammonia-oxidizing bacteria (AOB) and ammonia-oxidizing archaea (AOA) in activated sludge samples collected from 25 full-scale WWTPs. Using quantitative PCR (qPCR) and 16S rRNA gene amplicon sequencing, our results revealed that comammox Nitrospira ubiquitously occurred in all of 25 WWTPs and even outnumbered AOB and AOA with an average abundance of 1∼183 orders of magnitude higher in 19 WWTPs.

Role of the PADI family in inflammatory autoimmune diseases and cancers: A systematic review.

The peptidyl arginine deiminase (PADI) family is a calcium ion-dependent group of isozymes with sequence similarity that catalyze the citrullination of proteins. Histones can serve as the target substrate of PADI family isozymes, and therefore, the PADI family is involved in NETosis and the secretion of inflammatory cytokines. Thus, the PADI family is associated with the development of inflammatory autoimmune diseases and cancer, reproductive development, and other related diseases.

Toward Quantized Model Parallelism for Graph-Augmented MLPs Based on Gradient-Free ADMM Framework.

While graph neural networks (GNNs) are popular in the deep learning community, they suffer from several challenges including over-smoothing, over-squashing, and gradient vanishing. Recently, a series of models have attempted to relieve these issues by first augmenting the node features and then imposing node-wise functions based on multilayer perceptron (MLP), which are widely referred to as graph-augmented MLP (GA-MLP) models. However, while GA-MLP models enjoy deeper architectures for better accuracy, their efficiency largely deteriorates.

Intestinal mucus components and secretion mechanisms: what we do and do not know.

Damage to the colon mucus barrier, the first line of defense against microorganisms, is an important determinant of intestinal diseases such as inflammatory bowel disease and colorectal cancer, and disorder in extraintestinal organs. The mucus layer has attracted the attention of the scientific community in recent years, and with the discovery of new mucosal components, it has become increasingly clear that the mucosal barrier is a complex system composed of many components. Moreover, certain components are jointly involved in regulating the structure and function of the mucus barrier.

Distinct Inhibition Modes of New Delhi Metallo-β-lactamase-1 Revealed by NMR Spectroscopy.

The wide spread of antibiotic-resistant "superbugs" containing New Delhi metallo-β-lactamase-1 (NDM-1) has become a threat to human health. However, clinically valid antibiotics to treat the superbugs' infection are not available now. Quick, simple, and reliable methods to assess the ligand-binding mode are key to developing and improving inhibitors against NDM-1.

Analysis of fatty acid composition and sensitivity to dietary n-3 PUFA intervention of mouse n-3 PUFA-enriched tissues/organs.

Purpose: n-3 polyunsaturated fatty acids (PUFAs), docosahexaenoic acid (DHA; C22:6 n3) and eicosapentaenoic acid (EPA; C20:5 n3), are of concern for their health-promoting effects such as anti-inflammatory, but the tissue selectivity for n-3 PUFA (i.e., which tissues and organs are rich in n-3 PUFA) is still not well known.

Weakened Crystalline SnNb O for Enhanced Performance in Photocatalytic H Production and CO Reduction.

Low crystalline photocatalysts with unsaturated active sites, such as oxygen vacancy (O ), is reported to exhibit enhanced adsorption and activation of oxygen-containing small molecules, such as H O and CO , thus boosting the activity in photocatalytic H evolution and CO reduction. However, numerous low-crystalline photocatalysts show unsatisfactory stability due to the easily repaired surface O . Herein, three SnNb O with different crystallinity were prepared by hydrothermal approach with similar precursors.

Synergistic Flame Retardant Effect between Ionic Liquid Functionalized Imogolite Nanotubes and Ammonium Polyphosphate in Epoxy Resin.

Ionic liquid functionalized imogolite nanotubes (INTs-PF-ILs) were introduced into the epoxy resin (EP)/ammonium polyphosphate (APP) system to investigate the flame retardant performance and thermal properties using the limiting oxygen index (LOI) test, the UL-94 test, and the cone calorimeter test (CCT). The results suggested that a synergistic effect exists between INTs-PF-ILs and APP on the char formation and anti-dripping behavior of EP composites. For the EP/APP, an UL-94 V-1 rating was obtained for the loading of 4 wt% APP.

Decoding the Conformational Selective Mechanism of FGFR Isoforms: A Comparative Molecular Dynamics Simulation.

Fibroblast growth factor receptors (FGFRs) play critical roles in the regulation of cell growth, differentiation, and proliferation. Specifically, FGFR2 gene amplification has been implicated in gastric and breast cancer. Pan-FGFR inhibitors often cause large toxic side effects, and the highly conserved ATP-binding pocket in the FGFR1/2/3 isoforms poses an immense challenge in designing selective FGFR2 inhibitors.

Visualizing Proteins in Human Cells at Near-Physiological Concentrations with Sensitive F NMR Chemical Tags.

In-cell NMR spectroscopy is an effective tool for observing proteins at atomic resolution in their native cellular environment. However, its utility is limited by its low sensitivity and the extensive line broadening caused by nonspecific interactions in the cells, which is even more pronounced in human cells due to the difficulty of overexpressing or delivering high concentrations of isotopically labeled proteins. Here, we present a high-sensitivity tag (wPSP-6F) containing two trifluoromethyl groups that can efficiently label globular proteins with molecular weights in the 6-40 kDa range under mild conditions.

Dynamics of the axon plasma membrane skeleton.

It was recently revealed super-resolution microscopy experiments that the axon plasma membrane skeleton (APMS) comprises a series of periodically arranged azimuthal actin rings connected longitudinal spectrin filaments forming an orthotropic network. The common perception is that APMS enhances structural stability of the axon but its impact on axon deformation is unknown. To investigate the response of the APMS to extension, we introduce a coarse-grain molecular dynamics model consisting of actin particles forming rings and chains of particles representing spectrin tetramers with repeats than can unfold.

Theoretical Insights into the Selectivity of Hydrophilic Sulfonated and Phosphorylated Ligands to Am(III) and Eu(III) Ions.

The separation of lanthanides and actinides has attracted great attention in spent nuclear fuel reprocessing up to date. In addition, liquid-liquid extraction is a feasible and useful way to separate An(III) from Ln(III) based on their relative solubilities in two different immiscible liquids. The hydrophilic bipyridine- and phenanthroline-based nitrogen-chelating ligands show excellent performance in separation of Am(III) and Eu(III) as reported previously.

ZYG11B potentiates the antiviral innate immune response by enhancing cGAS-DNA binding and condensation.

As a key dsDNA recognition receptor, cyclic guanosine monophosphate (GMP)-AMP synthase (cGAS) plays a vital role in innate immune responses. Activated cGAS, by sensing DNA, catalyzes the synthesis of the secondary messenger cyclic GMP-AMP (cGAMP), which subsequently activates downstream signaling to induce production of interferons and inflammatory cytokines. Here, we report Zyg-11 family member B (ZYG11B) as a potent amplifier in cGAS-mediated immune responses.

Vaginal Drug Delivery Systems to Control Microbe-Associated Infections.

The vagina has been regarded as a crucial route for drug delivery. Despite the wide range of available vaginal dosage forms for vaginal infection control, poor drug absorptivity remains a significant challenge due to various biological barriers in the vagina, such as mucus, epithelium, immune systems, and others. To overcome these barriers, different types of vaginal drug delivery systems (VDDSs), with outstanding mucoadhesive, mucus-penetrating properties, have been designed to enhance the absorptivity of vagina-administered agents in the past decades.

Chemical scissor-mediated structural editing of layered transition metal carbides.

Intercalated layered materials offer distinctive properties and serve as precursors for important two-dimensional (2D) materials. However, intercalation of non-van der Waals structures, which can expand the family of 2D materials, is difficult. We report a structural editing protocol for layered carbides (MAX phases) and their 2D derivatives (MXenes).

Selective Cleavage of the Strong or Weak C-C Bonds in Biphenylene Enabled by Rare-Earth Metals.

Selective cleavage of C-C bonds within arene rings is of great interest but remains elusive, especially for the molecules possessing the active and inert C-C bonds. Here, we report that the active and inert C-C bonds of biphenylene could be controllably cleaved by the reaction of biphenylene, potassium graphite, and rare-earth complexes with different metal centers. For scandium, the bond activation occurs at the C-C single bond, yielding 9-scandafluorene.

Physicochemical properties and in vitro digestibility of proso millet starch modified by heat-moisture treatment and annealing processing.

Heat-moisture treatment (HMT) and annealing (ANN) were applied to modify the proso millet starch, and then the physicochemical properties as well as the in vitro digestion of the modified starch were investigated systematically. Results indicated that HMT and ANN did not change the typical A-type crystallinity. However, both processes cause cracks and dents on the surface of the granule.

Transcriptional and open chromatin analysis of bovine skeletal muscle development by single-cell sequencing.

Skeletal muscle is a complex heterogeneous tissue and characterizing its cellular heterogeneity and transcriptional and epigenetic signatures are important for understanding the details of its ontogeny. In our study, we applied scRNA-seq and scATAC-seq to investigate the cell types, molecular features, transcriptional and epigenetic regulation, and patterns of developing bovine skeletal muscle from gestational, lactational and adult stages. Detailed molecular analyses were used to dissect cellular heterogeneity, and we deduced the differentiation trajectory of myogenic cells and uncovered their dynamic gene expression profiles.

EDA-E7 Activated DCs Induces Cytotoxic T Lymphocyte Immune Responses against HPV Expressing Cervical Cancer in Human Setting.

Cervical cancer is a major cause of cancer death in women worldwide. Targeting human papillomavirus (HPV) viral oncoproteins E6 and E7 is a new strategy for cervical cancer immunotherapy and has been associated with resolution of HPV-induced lesions. How to efficiently induce T cell target killing of HPV infected cervical cancer is of great potential benefit for cervical cancer treatment.

The nanoformula of zoledronic acid and calcium carbonate targets osteoclasts and reverses osteoporosis.

Osteoporosis is known as an imbalance in bone catabolism and anabolism. Overactive bone resorption causes bone mass loss and increased incidence of fragility fractures. Antiresorptive drugs are widely used for osteoporosis treatment, and their inhibitory effects on osteoclasts (OCs) have been well established.